(6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate

C19H20N4O3 — CID 130405224

IUPAC(6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate
SMILESO=C(NCC1CCOCC1)Oc1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C19H20N4O3/c24-19(21-12-13-5-9-25-10-6-13)26-18-22-16-2-1-15(11-17(16)23-18)14-3-7-20-8-4-14/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyVNVYNQISXCWECL-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.14
Rot. Bonds4

About (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate

(6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate (PubChem CID 130405224) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate.

Molecular Properties

Compound Name(6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate
PubChem CID130405224
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate
SMILESO=C(NCC1CCOCC1)Oc1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C19H20N4O3/c24-19(21-12-13-5-9-25-10-6-13)26-18-22-16-2-1-15(11-17(16)23-18)14-3-7-20-8-4-14/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyVNVYNQISXCWECL-UHFFFAOYSA-N
XLogP3.14
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166287482
tert-butyl N-[4-[[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]methyl]cyclohexyl]carbamate
CID 171674285
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
cis-(1S,3R)-3-(6-pyridin-4-yl-1H-benzimidazol-2-yl)cyclopentan-1-amine;bis(2,2,2-trifluoroacetic acid)
CID 117074727
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 110085800
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide
CID 118793007
prop-2-enyl 2-pyridin-4-yl-3H-benzimidazole-5-carboxylate
CID 91673805
N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 166218130
5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 123455949
1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine
CID 175937994

Frequently Asked Questions

What is the IUPAC name of (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate?
The IUPAC name of (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate (CID 130405224) is (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate.
What is the SMILES notation for (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate?
The canonical SMILES for (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate is O=C(NCC1CCOCC1)Oc1nc2ccc(-c3ccncc3)cc2[nH]1.
What is the InChIKey of (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate?
The InChIKey is VNVYNQISXCWECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(21-12-13-5-9-25-10-6-13)26-18-22-16-2-1-15(11-17(16)23-18)14-3-7-20-8-4-14/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,24)(H,22,23).
What are the key properties of (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate?
(6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate has a molecular weight of 352.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate is sourced from PubChem (CID 130405224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).